31.  Shinaj Rajagopal, Vennapusa Sivaranjana Reddy, and Mahesh Hariharan,

       Crystallization Induced Green-Yellow-Orange Emitters Based on Benzoylpyrenes,

       CrystEngComm, 2016 (Accepted).

 

30. Kalaivanan Nagarajan, Ajith R. Mallia, Vennapusa Sivaranjana Reddy, and Mahesh Hariharan,

       Access to Triplet Excited State in Core-Twisted Perylenediimide,

       J. Phys. Chem. C,  120, 8443-8450 (2016).

 

29. Rohini K, Daniel SMR and R. S. Swathi,

       Intercalation of HF, H2O and NH3 Clusters within the Bilayers of Graphene and Graphene Oxide: Predictions from Coronene-based              Model Systems,

       J. Phys. Chem. A, Article ASAP (2015).

 

28. S. Chandra Shekar and R. S. Swathi, 

      Cation-Pi Interactions  and Rattling Motion through Two-Dimensional Carbon Networks: Graphene vs Graphynes,   

      J. Phys. Chem. C, 119, 8912-8923 (2015).

 

27. V. Sivaranjana Reddy, S. Nagaprasad Reddy and S. Mahapatra,

      Ultrafast internal conversion dynamics of electronically excited diborane radical cation,

      Theo. Chem. Acc. 134, 39 (2015)

 

26. B Sree Ganesh, Devendra Singh and R. S. Swathi, 

      Noble Gas Encapsulation into Carbon Nanotubes: Predictions from Analytical Model and DFT Studies. 

      J. Chem. Phys. 141, 184304 (2014).

 

25. Jatish Kumar, Reshmi Thomas, R. S. Swathi and K. George Thomas, 

      Au Nanorod Quartets and Raman Signal Enhancement: Towards the Design of Plasmonic Platforms,

      Nanoscale, 6, 10454-10459 (2014).

 

24. S. Chandra Shekar and R. S. Swathi,

      Stability of Nucleobases and Base Pairs Adsorbed on Graphyne and Graphdiyne,

      J. Phys. Chem. C, 118, 4516 (2014).

 

23. V. Sivaranjana Reddy, C. Camacho, J. Xia, R. Jasti, and S. Irle,

      Quantum dynamics simulations reveal vibronic effects on the optical properties of [n]cycloparaphenylenes, 

      J. Chem. Theory Comput. 10, 4025 (2014).

 

22. Rohini K and R. S. Swathi,

      Host-Guest Interactions in the Confined Geometries Formed from Molecular Aggregates of Push-Pull Molecules,

      J. Phys. Chem. A, 117, 5794 (2013).

 

21. S. Chandra Shekar and R. S. Swathi,

      Rattling Motion of Alkali Metal Ions through the Model Compounds of Graphyne and Graphdiyne,

      J. Phys. Chem. A, 117, 8632 (2013).

 

 

20. E. V. Gromov, V. Sivaranjana Reddy, F. Gatti and H. Koeppel,

      Reaction surface approach to multimode vibronic coupling problems: General framework and application to furan,

      J. Chem. Phys. 139, 234306 (2013).

 

19. Reshmi Thomas and R. S. Swathi,

      Organization of Metal Nanoparticles for Surface-enhanced Spectroscopy: A Difference in Size Matters,

      J. Phys. Chem. C. 116, 21982 (2012).

 

18. M. Shanthil, Reshmi Thomas, R. S. Swathi and K. George Thomas,

      Ag@SiO2 Core-Shell Nanostructures: Distance-Dependent Plasmon Coupling and SERS Investigation,

      J. Phys. Chem. Lett. 3, 1459 (2012).

 

17. Reshmi Thomas, Jatish Kumar, R. S. Swathi and K George Thomas,

      Optical effects near metal nanostructures: Towards surface-enhanced spectroscopy,

      Curr. Sci. 102, 85 (2012).

 

16. Amol M Vibhute, Rajesh G Gonnade, R. S. Swathi and Kana M Sureshan,

      Strength from weakness: oppurtunistic CH...O hydrogen bonds differentially dictate the conformational fate in solid and solution states,

      Chem. Commun. 48, 717 (2012).

 

15. R. S. Swathi and K. L. Sebastian,

      Excitation energy transfer from dye molecules to doped graphene,

      J. Chem. Sci, 124, 233 (2012).

 

14. S. Faraji, M. Vazdar, V. Sivaranjana Reddy, M. Eckert Maksic, H. Lischka and H. Koeppel,

      Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole,

      J. Chem. Phys. 135, 154310 (2011).

 

13. S. Ghanta, V. Sivaranjana Reddy and S. Mahapatra,

      Theoretical study of electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical    

      observations.  II. Dynamical consequences, Phys. Chem. Chem. Phys., 13, 14531 (2011).

 

12. S. Ghanta, V. Sivaranjana Reddy and S. Mahapatra,

      Theoretical study of electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical    

      observations. I. Static aspects, Phys. Chem. Chem. Phys., 13, 14523 (2011).

 

11. R. S. Swathi and K. L. Sebastian,

      Excitation energy transfer from a fluorophore to single-walled carbon nanotubes,

      J. Chem. Phys, 132, 104502 (2010).

 

10. V. Sivaranjana Reddy, S. Ghanta and S. Mahapatra,

      First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon radical cations in

      interstellar space, Phys. Rev. Lett. 104, 111102 (2010).

 

9. R. R. Kumar, V. Sivaranjana Reddy and S. Mahapatra,

   (B+Exb)xe Jahn-Teller and pseudo-Jahn-Teller effects in spiropentane radical cation,

   Chem. Phys. 373, 228 (2010).

 

8. R. S. Swathi and K. L. Sebastian,

    Distance dependence of fluorescence resonance energy transfer,

     J. Chem. Sci, 121, 777 (2009).

 

7. R. S. Swathi and K. L. Sebastian,

    Long range resonance energy transfer from a dye molecule to graphene has (distance)-4 dependence,

    J. Chem. Phys, 130, 086101 (2009).

 

6. V. Sivaranjana Reddy and S. Mahapatra,

    Electronic nonadiabatic interactions and ultrafast internal conversion in phenylacetylene radical cation,

    J. Chem. Phys. 130, 124303 (2009).

 

5. V. Sivaranjana Reddy and S. Mahapatra,

     Photostability of electronically excited polyacenes: a case study of vibronic coupling in the naphthalene radical cation,

     J. Chem. Phys. 128, 091104 (2008).

 

4. R. S. Swathi and K. L. Sebastian,

    Resonance energy transfer from a dye molecule to graphene,

    J. Chem. Phys, 129, 054703 (2008).

 

3. V. Sivaranjana Reddy, T. S. Venkatesan and S. Mahapatra,

    Vibronic interactions in the photodetachment spectroscopy of phenide anion,

     J. Chem. Phys. 126, 074306 (2007). 

 

2. R. S. Swathi and K. L. Sebastian,

    Resonance energy transfer from a fluorescent dye molecule to Plasmon and electron-hole pair excitations of a metal nanoparticle,

    J. Chem. Phys, 126, 234701 (2007).

 

1. Panchanan Puzari, R. S. Swathi, Biplab Sarkar and Satrajit Adhikari,

    A quantum-classical approach to the photoabsorption spectrum of pyrazine,

    J. Chem. Phys, 123, 134317 (2005).